SCHEMBL5557540

SCHEMBL5557540

CCCOc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cccnc3)c2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 6/20 0.41
SCN9A Q15858 6/20 0.41
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
CYP1A2 P05177 1/20 0.38
CSF1R P07333 2/20 0.36
KIT P10721 2/20 0.36
NAMPT P43490 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
KMO O15229 1/20 0.35
AAK1 Q2M2I8 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5562845 0.94 SCN5A (0.42) SCN5ASCN9AHTR2AHTR2CHTR2B
SCHEMBL5562197 0.93 SCN5A (0.42) SCN5ASCN9AHTR2AHTR2CHTR2B
SCHEMBL5564393 0.92 SCN5A (0.44) SCN5ASCN9AHTR2AHTR2CHTR2B
SCHEMBL5562768 0.90 HTR2C (0.46) SCN5ASCN9ATSHRHTR2AHTR2C
SCHEMBL5556741 0.89 AAK1 (0.41) CYP1A2AAK1
SCHEMBL5559219 0.89 HTR2A (0.44) SCN5ASCN9AHTR2AHTR2CHTR2B
SCHEMBL5557450 0.88 SCN5A (0.42) SCN5ASCN9ACSF1RKITNAMPT
SCHEMBL5557180 0.87 SCN5A (0.41) SCN5ASCN9ACSF1RKITNAMPT
SCHEMBL5562285 0.87 SCN5A (0.43) SCN5ASCN9ACSF1RKITNAMPT
SCHEMBL5562149 0.87 SCN5A (0.43) SCN5ASCN9ACSF1RKITNAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 SCN5A 303/4885SCN9A 1189/4885TSHR 3676/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.